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4-tert-Butylcalix[6]arene

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4-tert-Butylcalix[6]arene
SpectraBase Compound ID CBZrRniz3wo
InChI InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3
InChIKey UOEYZAXKBKAKRO-UHFFFAOYSA-N
Mol Weight 973.4 g/mol
Molecular Formula C66H84O6
Exact Mass 972.62679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsaNu6ZTv0i
Name 5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexahydroxy-calix(6)arene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C66H84O6
InChI InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3
InChIKey UOEYZAXKBKAKRO-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference C.D. Gutsche, B. Dhawan, K.H.No, J. Am. Chem. Soc. 103, 3782 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3